(E)-N-[(3-chloro-5-fluorophenyl)methoxy]-2,2-dimethylpropan-1-imine

C12H15ClFNO — CID 20584650

IUPAC(E)-N-[(3-chloro-5-fluorophenyl)methoxy]-2,2-dimethylpropan-1-imine
SMILESCC(C)(C)/C=N/OCc1cc(F)cc(Cl)c1
InChIInChI=1S/C12H15ClFNO/c1-12(2,3)8-15-16-7-9-4-10(13)6-11(14)5-9/h4-6,8H,7H2,1-3H3/b15-8+
InChIKeyDIPFQFLAHFVMNN-OVCLIPMQSA-N
MW243.71 g/mol
LogP4.03
Rot. Bonds3

About (E)-N-[(3-chloro-5-fluorophenyl)methoxy]-2,2-dimethylpropan-1-imine

(E)-N-[(3-chloro-5-fluorophenyl)methoxy]-2,2-dimethylpropan-1-imine (PubChem CID 20584650) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is (E)-N-[(3-chloro-5-fluorophenyl)methoxy]-2,2-dimethylpropan-1-imine.

Molecular Properties

Compound Name(E)-N-[(3-chloro-5-fluorophenyl)methoxy]-2,2-dimethylpropan-1-imine
PubChem CID20584650
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name(E)-N-[(3-chloro-5-fluorophenyl)methoxy]-2,2-dimethylpropan-1-imine
SMILESCC(C)(C)/C=N/OCc1cc(F)cc(Cl)c1
InChIInChI=1S/C12H15ClFNO/c1-12(2,3)8-15-16-7-9-4-10(13)6-11(14)5-9/h4-6,8H,7H2,1-3H3/b15-8+
InChIKeyDIPFQFLAHFVMNN-OVCLIPMQSA-N
XLogP4.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3-chloro-5-fluorophenyl)methoxy]-2,2-dimethylpropan-1-imine?
The IUPAC name of (E)-N-[(3-chloro-5-fluorophenyl)methoxy]-2,2-dimethylpropan-1-imine (CID 20584650) is (E)-N-[(3-chloro-5-fluorophenyl)methoxy]-2,2-dimethylpropan-1-imine.
What is the SMILES notation for (E)-N-[(3-chloro-5-fluorophenyl)methoxy]-2,2-dimethylpropan-1-imine?
The canonical SMILES for (E)-N-[(3-chloro-5-fluorophenyl)methoxy]-2,2-dimethylpropan-1-imine is CC(C)(C)/C=N/OCc1cc(F)cc(Cl)c1.
What is the InChIKey of (E)-N-[(3-chloro-5-fluorophenyl)methoxy]-2,2-dimethylpropan-1-imine?
The InChIKey is DIPFQFLAHFVMNN-OVCLIPMQSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-12(2,3)8-15-16-7-9-4-10(13)6-11(14)5-9/h4-6,8H,7H2,1-3H3/b15-8+.
What are the key properties of (E)-N-[(3-chloro-5-fluorophenyl)methoxy]-2,2-dimethylpropan-1-imine?
(E)-N-[(3-chloro-5-fluorophenyl)methoxy]-2,2-dimethylpropan-1-imine has a molecular weight of 243.71 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3-chloro-5-fluorophenyl)methoxy]-2,2-dimethylpropan-1-imine is sourced from PubChem (CID 20584650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).